UCSF

ZINC41680010

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.43 2.66 -49.69 4 5 1 83 231.316 9
Mid Mid (pH 6-8) 0.43 2.32 -12.98 3 5 0 81 230.308 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )